SCHEMBL13613654

SCHEMBL13613654

O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.73
OPRM1 P35372 1/20 0.51
EPHX2 P34913 1/20 0.48
P2RX7 Q99572 4/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13613638 0.88 TRPV1 (0.58) TRPV1OPRM1
SCHEMBL4347233 0.88 TRPV1 (0.58) TRPV1OPRM1EPHX2P2RX7
SCHEMBL4444559 0.86 TRPV1 (0.59) TRPV1OPRM1
SCHEMBL4446846 0.85 TRPV1 (0.60) TRPV1OPRM1
SCHEMBL4444412 0.85 TRPV1 (0.60) TRPV1OPRM1
SCHEMBL4335739 0.85 TRPV1 (1.00) TRPV1
SCHEMBL4343306 0.85 TRPV1 (1.00) TRPV1
SCHEMBL13613630 0.85 TRPV1 (0.61) TRPV1OPRM1EPHX2P2RX7
SCHEMBL4332089 0.85 TRPV1 (1.00) TRPV1
SCHEMBL4332036 0.84 TRPV1 (0.59) TRPV1OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed